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At least 829 records · Page 46
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DOE OSTI2020

Materials Data on LuPaO4 by Materials Project

PaLuO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.30 Å. Lu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Lu–O bond lengths are 2.32 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Lu3+ atoms to form a mixture of corner and edge-sharing OLu2Pa2 tetrahedra.

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DOE OSTI2020

Materials Data on Pa2Cr2O5 by Materials Project

(Cr)2Pa2O5 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of two chromium molecules and one Pa2O5 sheet oriented in the (0, 0, 1) direction. In the Pa2O5 sheet, Pa3+ is bonded to five O2- atoms to form corner-sharing PaO5 square pyramids. All Pa–O bond lengths are 2.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Pa3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Pa3+ atoms.

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Materials Data on CsPaO3 by Materials Project

CsPaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Cs–O bond lengths are 3.15 Å. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.23 Å. O2- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Pa5+ atoms.

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DOE OSTI2020

Materials Data on PmPaO4 by Materials Project

PaPmO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.32 Å. Pm3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pm–O bond lengths are 2.42 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Pm3+ atoms to form a mixture of edge and corner-sharing OPm2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaOsO3 by Materials Project

PaOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa3+ is bonded to twelve equivalent O2- atoms to form PaO12 cuboctahedra that share corners with twelve equivalent PaO12 cuboctahedra, faces with six equivalent PaO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Pa–O bond lengths are 2.80 Å. Os3+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to four equivalent Pa3+ and two equivalent Os3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaHgTe2 by Materials Project

PaHgTe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa3+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Pa–Te bond lengths are 3.31 Å. Hg1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Hg–Te bond lengths are 3.31 Å. Te2- is bonded in a distorted body-centered cubic geometry to four equivalent Pa3+ and four equivalent Hg1+ atoms.

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DOE OSTI2020

Materials Data on PmPaO4 by Materials Project

PaPmO4 is Fluorite-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.31 Å. Pm3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pm–O bond lengths are 2.43 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Pm3+ atoms to form a mixture of edge and corner-sharing OPm2Pa2 tetrahedra.

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DOE OSTI2020

Materials Data on CePaO4 by Materials Project

PaCeO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.33 Å. Ce3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ce–O bond lengths are 2.42 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Ce3+ atoms to form a mixture of corner and edge-sharing OCe2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErPaO4 by Materials Project

PaErO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.30 Å. Er3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Er–O bond lengths are 2.35 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr2Pa2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaTaO3 by Materials Project

PaTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa3+ is bonded to twelve equivalent O2- atoms to form PaO12 cuboctahedra that share corners with twelve equivalent PaO12 cuboctahedra, faces with six equivalent PaO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Pa–O bond lengths are 2.86 Å. Ta3+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Pa3+ and two equivalent Ta3+ atoms.

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DOE OSTI2020

Materials Data on LiPaO3 by Materials Project

LiPaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one lithium molecule and one PaO3 framework. In the PaO3 framework, Pa5+ is bonded to six equivalent O2- atoms to form corner-sharing PaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.17 Å. O2- is bonded in a linear geometry to two equivalent Pa5+ atoms.

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Materials Data on PrPaO4 by Materials Project

PaPrO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.32 Å. Pr3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pr–O bond lengths are 2.46 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr2Pa2 tetrahedra.

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Materials Data on TbPaO4 by Materials Project

PaTbO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.31 Å. Tb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Tb–O bond lengths are 2.38 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Tb3+ atoms to form a mixture of edge and corner-sharing OTb2Pa2 tetrahedra.

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DOE OSTI2020

Materials Data on YbPaO4 by Materials Project

PaYbO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.29 Å. Yb3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Yb–O bond lengths are 2.39 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Yb3+ atoms to form a mixture of corner and edge-sharing OYb2Pa2 tetrahedra.

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DOE OSTI2020

Materials Data on ScPaO4 by Materials Project

PaScO4 is Fluorite-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.28 Å. Sc3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sc–O bond lengths are 2.27 Å. O2- is bonded to two equivalent Pa5+ and two equivalent Sc3+ atoms to form a mixture of edge and corner-sharing OSc2Pa2 tetrahedra.

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DOE OSTI2020

Materials Data on LaPaO4 by Materials Project

PaLaO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.33 Å. La3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All La–O bond lengths are 2.48 Å. O2- is bonded to two equivalent Pa5+ and two equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa2Pa2 tetrahedra.

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DOE OSTI2020

Materials Data on Cs2PaF7 by Materials Project

Cs2PaF7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Cs–F bond distances ranging from 3.02–3.43 Å. Pa5+ is bonded in a 7-coordinate geometry to nine F1- atoms. There are a spread of Pa–F bond distances ranging from 2.18–2.66 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and two equivalent Pa5+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Pa5+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one Pa5+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pa5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PaInO4 by Materials Project

PaInO4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pa–O bond lengths are 2.30 Å. In3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All In–O bond lengths are 2.33 Å. O2- is bonded to two equivalent Pa5+ and two equivalent In3+ atoms to form a mixture of corner and edge-sharing OPa2In2 tetrahedra.

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